phenyl 4-(methoxysulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(methoxysulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate CAS Name: 3-(3-hydroxy-1-piperazinyl)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-hydroxypiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-hydroxypiperazino)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C17H21N3O7S2 MolecularWeight: 443.49454

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C17H21N3O7S2/c1-26-29(24,25)19-15-8-7-14(11-16(15)20-10-9-18-17(21)12-20)28(22,23)27-13-5-3-2-4-6-13/h2-8,11,17-19,21H,9-10,12H2,1H3